Bis(triphenylphosphine) iminium Tetrafluoroborate Chloroform Monosolvate

Rachana Manandhar; Nigam P. Rath; Myron W. Jones

doi:10.1107/s2414314618011082

Bis(triphenylphosphine) iminium Tetrafluoroborate Chloroform Monosolvate

Rachana Manandhar, Nigam P. Rath, Myron W. Jones

University of Missouri-St. Louis

Research output: Contribution to journal › Article › peer-review

Abstract

<div class="line" id="line-11"> In the title compound, C 36 H 30 NP 2+ ·BF 4− ·CHCl 3  or [PPN]BF 4 ·CHCl 3 , where [PPN] = [(Ph 3 P) 2 N] + , two triphenylphosphine units are attached to a central N atom. The P—N—P bond angle is 137.69&emsp14;(11)°. The two P—N bonds are nearly equivalent, with lengths of 1.5834&emsp14;(18) and 1.5798&emsp14;(17)&emsp14;Å. Both the BF 4−  anion and the chloroform solvent molecule are disordered over two positions, with occupancy ratios of 0.872&emsp14;(3):0.128&emsp14;(3) and 0.9628&emsp14;(9):0.0372&emsp14;(9), respectively. In the crystal, C—H&ctdot;F and C—H&ctdot;Cl hydrogen bonds link the [PPN] +  cations, the BF 4−  anions, and the chloroform solvent molecules into an array which extends along the  b -axis direction.</div><div class="line" id="line-41"> </div><div class="line" id="line-43"> </div>

Original language	American English
Journal	IUCrData
Volume	3
DOIs	https://doi.org/10.1107/s2414314618011082
State	Published - Aug 28 2018

Keywords

crystal structure
hydrogen bonding
solvate

Disciplines

Chemistry

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Cite this

@article{ed97c040311e41389be33da9f4a71725,

title = "Bis(triphenylphosphine) iminium Tetrafluoroborate Chloroform Monosolvate",

abstract = " In the title compound, C 36 H 30 NP 2+ ·BF 4− ·CHCl 3  or [PPN]BF 4 ·CHCl 3 , where [PPN] = [(Ph 3 P) 2 N] + , two triphenylphosphine units are attached to a central N atom. The P—N—P bond angle is 137.69&emsp14;(11)°. The two P—N bonds are nearly equivalent, with lengths of 1.5834&emsp14;(18) and 1.5798&emsp14;(17)&emsp14;Å. Both the BF 4−  anion and the chloroform solvent molecule are disordered over two positions, with occupancy ratios of 0.872&emsp14;(3):0.128&emsp14;(3) and 0.9628&emsp14;(9):0.0372&emsp14;(9), respectively. In the crystal, C—H&ctdot;F and C—H&ctdot;Cl hydrogen bonds link the [PPN] +  cations, the BF 4−  anions, and the chloroform solvent molecules into an array which extends along the  b -axis direction. ",

keywords = "crystal structure, hydrogen bonding, solvate",

author = "Rachana Manandhar and Rath, {Nigam P.} and Jones, {Myron W.}",

year = "2018",

month = aug,

day = "28",

doi = "10.1107/s2414314618011082",

language = "American English",

volume = "3",

journal = "IUCrData",

}

TY - JOUR

T1 - Bis(triphenylphosphine) iminium Tetrafluoroborate Chloroform Monosolvate

AU - Manandhar, Rachana

AU - Rath, Nigam P.

AU - Jones, Myron W.

PY - 2018/8/28

Y1 - 2018/8/28

N2 - In the title compound, C 36 H 30 NP 2+ ·BF 4− ·CHCl 3  or [PPN]BF 4 ·CHCl 3 , where [PPN] = [(Ph 3 P) 2 N] + , two triphenylphosphine units are attached to a central N atom. The P—N—P bond angle is 137.69&emsp14;(11)°. The two P—N bonds are nearly equivalent, with lengths of 1.5834&emsp14;(18) and 1.5798&emsp14;(17)&emsp14;Å. Both the BF 4−  anion and the chloroform solvent molecule are disordered over two positions, with occupancy ratios of 0.872&emsp14;(3):0.128&emsp14;(3) and 0.9628&emsp14;(9):0.0372&emsp14;(9), respectively. In the crystal, C—H&ctdot;F and C—H&ctdot;Cl hydrogen bonds link the [PPN] +  cations, the BF 4−  anions, and the chloroform solvent molecules into an array which extends along the  b -axis direction.

AB - In the title compound, C 36 H 30 NP 2+ ·BF 4− ·CHCl 3  or [PPN]BF 4 ·CHCl 3 , where [PPN] = [(Ph 3 P) 2 N] + , two triphenylphosphine units are attached to a central N atom. The P—N—P bond angle is 137.69&emsp14;(11)°. The two P—N bonds are nearly equivalent, with lengths of 1.5834&emsp14;(18) and 1.5798&emsp14;(17)&emsp14;Å. Both the BF 4−  anion and the chloroform solvent molecule are disordered over two positions, with occupancy ratios of 0.872&emsp14;(3):0.128&emsp14;(3) and 0.9628&emsp14;(9):0.0372&emsp14;(9), respectively. In the crystal, C—H&ctdot;F and C—H&ctdot;Cl hydrogen bonds link the [PPN] +  cations, the BF 4−  anions, and the chloroform solvent molecules into an array which extends along the  b -axis direction.

KW - crystal structure

KW - hydrogen bonding

KW - solvate

U2 - 10.1107/s2414314618011082

DO - 10.1107/s2414314618011082

M3 - Article

VL - 3

JO - IUCrData

JF - IUCrData

ER -